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	hartrees
Energy at 0K	-228.774857
Energy at 298.15K
HF Energy	-228.774857
Nuclear repulsion energy	161.355163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3233	3181	0.01	213.84	0.11	0.20
2	A₁	3209	3156	0.11	23.44	0.40	0.57
3	A₁	1510	1485	17.83	30.50	0.25	0.41
4	A₁	1417	1394	1.68	7.25	0.54	0.70
5	A₁	1162	1143	2.98	26.98	0.16	0.28
6	A₁	1106	1088	9.18	9.45	0.66	0.79
7	A₁	1004	988	36.77	2.21	0.61	0.76
8	A₁	869	855	11.65	0.14	0.41	0.58
9	A₂	845	832	0.00	0.96	0.75	0.86
10	A₂	699	688	0.00	2.92	0.75	0.86
11	A₂	606	596	0.00	0.05	0.75	0.86
12	B₁	796	783	0.81	0.68	0.75	0.86
13	B₁	727	715	84.72	1.14	0.75	0.86
14	B₁	629	619	19.64	2.04	0.75	0.86
15	B₂	3226	3174	0.02	10.26	0.75	0.86
16	B₂	3199	3147	1.13	106.53	0.75	0.86
17	B₂	1589	1563	0.66	0.10	0.75	0.86
18	B₂	1257	1237	9.92	0.02	0.75	0.86
19	B₂	1229	1209	4.76	1.67	0.75	0.86
20	B₂	1043	1026	6.84	5.22	0.75	0.86
21	B₂	866	852	0.05	3.10	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.152
C2	1.087	0.350
C3	-1.087	0.350
C4	0.711	-0.958
C5	-0.711	-0.958
H6	2.051	0.856
H7	-2.051	0.856
H8	1.374	-1.822
H9	-1.374	-1.822

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3512	1.3512	2.2268	2.2268	2.0721	2.0721	3.2765	3.2765
C2	1.3512		2.1746	1.3612	2.2239	1.0883	3.1787	2.1911	3.2829
C3	1.3512	2.1746		2.2239	1.3612	3.1787	1.0883	3.2829	2.1911
C4	2.2268	1.3612	2.2239		1.4222	2.2551	3.3044	1.0892	2.2572
C5	2.2268	2.2239	1.3612	1.4222		3.3044	2.2551	2.2572	1.0892
H6	2.0721	1.0883	3.1787	2.2551	3.3044		4.1017	2.7623	4.3478
H7	2.0721	3.1787	1.0883	3.3044	2.2551	4.1017		4.3478	2.7623
H8	3.2765	2.1911	3.2829	1.0892	2.2572	2.7623	4.3478		2.7483
H9	3.2765	3.2829	2.1911	2.2572	1.0892	4.3478	2.7623	2.7483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.371	O1	C2	H6	115.883
O1	C3	C5	110.371	O1	C3	H7	115.883
C2	O1	C3	107.168	C2	C4	C5	106.045
C2	C4	H8	126.456	C3	C5	C4	106.045
C3	C5	H9	126.456	C4	C2	H6	133.746
C4	C5	H9	127.499	C5	C3	H7	133.746
C5	C4	H8	127.499

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: SVWN/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.333
2	C	0.058
3	C	0.058
4	C	-0.157
5	C	-0.157
6	H	0.140
7	H	0.140
8	H	0.125
9	H	0.125

<r²>	80.747
(<r²>)^1/2	8.986

All results from a given calculation for C4H4O (Furan)

using model chemistry: SVWN/6-31G**

States and conformations

All results from a given calculation for C₄H₄O (Furan)